N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide

C21H18N2O5 — CID 7925385

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H18N2O5/c1-2-27-17-10-12-18(13-11-17)28-20-9-4-3-8-19(20)22-21(24)15-6-5-7-16(14-15)23(25)26/h3-14H,2H2,1H3,(H,22,24)
InChIKeyXWYMNZNBJCNPIF-UHFFFAOYSA-N
MW378.38 g/mol
LogP5.04
Rot. Bonds7

About N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide

N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide (PubChem CID 7925385) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide
PubChem CID7925385
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H18N2O5/c1-2-27-17-10-12-18(13-11-17)28-20-9-4-3-8-19(20)22-21(24)15-6-5-7-16(14-15)23(25)26/h3-14H,2H2,1H3,(H,22,24)
InChIKeyXWYMNZNBJCNPIF-UHFFFAOYSA-N
XLogP5.04
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 55342835
2-chloro-N-[2-(4-ethoxyphenoxy)phenyl]-4-nitrobenzamide
CID 8873797
N-[2-(3-diethoxyphosphorylphenoxy)phenyl]-3-nitrobenzamide
CID 86589710
3-(2-amino-2-oxoethoxy)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 35680500
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
N-[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 8926951
N-[1-[2-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 55342944
3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide
CID 55674920
3-[2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid
CID 18506192
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630301
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide (CID 7925385) is N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide is CCOc1ccc(Oc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide?
The InChIKey is XWYMNZNBJCNPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-2-27-17-10-12-18(13-11-17)28-20-9-4-3-8-19(20)22-21(24)15-6-5-7-16(14-15)23(25)26/h3-14H,2H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide?
N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide has a molecular weight of 378.38 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 7925385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).